Aurelien Moncomble
Overview
Explore the profile of Aurelien Moncomble including associated specialties, affiliations and a list of published articles.
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18
Citations
72
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Recent Articles
1.
Moncomble A, Cornard J
J Comput Chem
. 2024 May;
45(24):2071-2079.
PMID: 38738627
The influence of the composition of the functional used for density functional theory computations on one structural parameter (a dihedral angle) and a spectroscopic parameter (absorption wavelength) is assessed in...
2.
Andrade P, Dhainaut J, Volkringer C, Loiseau T, Moncomble A, Hureau M, et al.
Small
. 2024 Apr;
20(35):e2400265.
PMID: 38660825
Two titanium-based MOFs MIL-125 and MIL-125_NH are synthesized and characterized using high-temperature powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), N sorption, Fourier transformed infrared spectroscopy (FTIR), Raman spectroscopy, ultraviolet-visible spectroscopy...
3.
Labarriere L, Moncomble A, Cornard J
RSC Adv
. 2022 May;
10(58):35017-35030.
PMID: 35515691
2',3-Dihydroxyflavone (2'3HF) is a natural flavonol that has barely ever been studied, however the scarce studies of its physico-chemical properties have highlighted its atypical behaviour. We present a structural and...
4.
Mangold L, Halleux H, Leclerc S, Moncomble A, Cote G, Chagnes A
RSC Adv
. 2022 Apr;
11(43):27059-27073.
PMID: 35480018
Titanium chemistry in aqueous acidic media has been extensively investigated over the last decades. Hydrolyzed species such as Ti(OH), TiO, Ti(OH) or Ti(OH) have been identified and their equilibria have...
5.
Thaviligadu D, Labarriere L, Moncomble A, Cornard J
Spectrochim Acta A Mol Biomol Spectrosc
. 2019 Sep;
225:117492.
PMID: 31487563
Morin (2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one) is an abundant flavonoid with various pharmacological and biological activities. Considering the ubiquitous presence of calcium cations in biological systems, it seems relevant to study the interaction of...
6.
Moncomble A, Falantin C, Cornard J
J Phys Chem B
. 2018 Sep;
122(38):8943-8951.
PMID: 30183301
The current study aims at obtaining a better understanding of the mechanisms involved in the complexation of copper ions by 3-hydroxyflavone (3HF), which is one of the most studied compounds...
7.
Patel P, Arias J, Gongora R, Hernandez F, Moncomble A, Aloise S, et al.
Phys Chem Chem Phys
. 2018 Aug;
20(42):26804-26808.
PMID: 30124694
Small changes in the pH gradient play a critical role in numerous biological and chemical pathways. Systems capable of monitoring and regulating these changes with high sensitivity and minimum photo-fatigue...
8.
Falantin C, Moncomble A, Le Person A, Cornard J
Spectrochim Acta A Mol Biomol Spectrosc
. 2017 Jun;
187:49-60.
PMID: 28651242
Quantum chemical calculations using density functional theory have revealed that the substitution of the ketone group by a thioketone one doesn't significantly change the structure of 3-hydroxyflavone. Notably, the strong...
9.
Moncomble A, Cornard J, Meyer M
J Mol Model
. 2017 Jan;
23(1):24.
PMID: 28064375
The stereochemical activity of the lone pair on Pb complexes is assessed using several theoretical methods, including structural analyses, computations of Fukui functions, natural bond orbitals, electron localization function, investigation...
10.
Rebih F, Andreini M, Moncomble A, Harrison-Marchand A, Maddaluno J, Durandetti M
Chemistry
. 2015 Oct;
22(11):3758-63.
PMID: 26515879
A novel Ni(0) -catalyzed carboxylation of aryl tosylates with carbon dioxide has been achieved under moderate temperatures and atmospheric pressure. In this procedure, the active Ni(0) species is generated in...